SCHEMBL8073073

SCHEMBL8073073

CCCCCCCCCCCCOC(=O)C(N)CC

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.53
EPHX1 P07099 1/20 0.50
NOD1 Q9Y239 1/20 0.49
TSHR P16473 3/20 0.48
HTR2C P28335 1/20 0.47
HCAR2 Q8TDS4 1/20 0.46
RAD52 P43351 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
FAAH O00519 1/20 0.44
LMNA P02545 1/20 0.44
ACHE P22303 5/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13797805 1.00 NAAA (0.53) NAAAEPHX1NOD1TSHRHTR2C
SCHEMBL13496604 1.00 NAAA (0.53) NAAAEPHX1NOD1TSHRHTR2C
SCHEMBL2734819 1.00 NAAA (0.53) NAAAEPHX1NOD1TSHRHTR2C
SCHEMBL28214264 1.00 NAAA (0.53) NAAAEPHX1NOD1TSHRHTR2C
Hydrochloric Acid SCHEMBL8073071 0.98 NAAA (0.52) NAAAEPHX1NOD1TSHRHTR2C
Hydrochloric Acid SCHEMBL27687913 0.98 NAAA (0.52) NAAAEPHX1NOD1TSHRHTR2C
Hydrochloric Acid SCHEMBL215954 0.98 NAAA (0.52) NAAAEPHX1NOD1TSHRHTR2C
SCHEMBL5309795 0.98 NAAA (0.50) NAAAEPHX1NOD1TSHRHTR2C
SCHEMBL2734881 0.92 ALDH1A1 (0.52) NAAAEPHX1NOD1TSHRHCAR2
SCHEMBL2734865 0.92 ALDH1A1 (0.52) NAAAEPHX1NOD1TSHRHCAR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6075051-A INDUCING LOCAL AND SYSTEMIC RESISTANCE OF THE CROP BY APPLYING TO THE CROP OR ITS LOCUS A COMPOSITION CONTAINING AN EFFECTIVE AMOUNT OF AT LEAST ONE BETA-AMINOBUTYRIC ACID OR BETA-AMINO VALERIC ACID AND SALTS THEREOF AGROGENE LTD. (IL) 2000-06-13 US disclosed
US-5830919-A APPLYING AN AMINOBUTYRIC ACID COMPOUND AGROGENE LTD. (IL) 1998-11-03 US disclosed